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Traxoprodil -H2O 2AC
SpectraBase Compound ID K63I4WNALWB
InChI InChI=1S/C24H27NO4/c1-18(17-21-9-11-23(12-10-21)28-19(2)26)25-15-13-24(14-16-25,29-20(3)27)22-7-5-4-6-8-22/h4-12,17H,13-16H2,1-3H3/b18-17+
InChIKey LRNFLUCNFOXVPI-ISLYRVAYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C24H27NO4
Exact Mass 393.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BufDg3RlA
Name Traxoprodil -H2O 2AC
Classification Psychotropic drug
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Exact Mass 393.194008349 u
Formula C24H27NO4
InChI InChI=1S/C24H27NO4/c1-18(17-21-9-11-23(12-10-21)28-19(2)26)25-15-13-24(14-16-25,29-20(3)27)22-7-5-4-6-8-22/h4-12,17H,13-16H2,1-3H3/b18-17+
InChIKey LRNFLUCNFOXVPI-ISLYRVAYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 393.483 g/mol
SMILES c1cc(\C=C/(C)N2CCC(CC2)(c2ccccc2)OC(=O)C)ccc1OC(=O)C
SPLASH splash10-0zmi-3984000000-84a865bcc1e2b8d396d9
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_10305